5-(4-Chlorophenyl)-1-Phenyl-6-(4-Pyrazin-2-Ylphenyl)-3H-Pyrazolo[3,4-D]Pyrimidine-2,3,3A,6,7,7A-Hexaid-4-One

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Formula C27H23ClN6O
IUPAC Name 5-(4-chlorophenyl)-1-phenyl-6-(4-pyrazin-2-ylphenyl)-3h-pyrazolo[3,4-d]pyrimidine-2,3,3a,6,7,7a-hexaid-4-one
Molecular Mass 482.964 g·mol−1
Heat of Formation 618.7 ± 16.7 kJ·mol−1
Dipole Moment 4.09 ± 1.08 D
Volume 527.76 Å 3
Surface Area 444.13 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -1.42 ± eV
Point Group Symmetry C1
InChIKey NEFOOJZAPHPRBP-UHFFFAOYSA-N
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Elements H C N O Cl